个人简介

Ph.D. Princeton University 1970; M.S. Princeton University 1968; B.S. Brooklyn College 1967

研究领域

Organic Physical/Inorganic Computational/Theory

My research is interdisicplinary — it overlaps computational/theory, organic chemistry and physical/inorganic chemistry. It is international — I have coauthored papers with other researchers from over 20 countries. It is eclectic — it spans the periodic table as well as the gas and condensed phases. These studies involve the Interplay of molecular structure and energetics; chemical bonding theory; quantum chemistry and calorimetry; rules and regularities of chemical phenomena. We have investigated the energetics of neutrals and related ions; species stabilized by aromaticity and/or those destabilized by antiaromaticity and strained rings; compounds containing novel functionalities and their energetics. Not merely organic compounds, but also those of the nonmetals and metalloids, we have especially explored species containing fluorine, the noble gases and boron — we have generally been interested in exotic structures and corresponding energetics.

近期论文

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A. Fattahi, J.F. Liebman, M.S. Miranda, V.M.F. Morais, M.A.R. Matos, L. Lis, S.R. Kass, “Indenone and Cyclopentadienone Energetics via Mass Spectrometry and Computations: Are These Species Antiaromatic or ‘Merely’ Nonaromatic?” Intl. J. Mass Spectrom., 369, 87 − 91 (2014). B. Rudshteyn, A. Castillo, A.A. Ghogare, J.F. Liebman and A. Greer, “Theoretical Study of the Reaction Fomalhydrazone with Singlet Oxygen. Fragmentation of the C=N Bond, Ene Reaction and Other Processes, Photochem. Photobiol., 90, 431− 438 (2014). R. Notario, J.S. Chickos and J.F. Liebman, “The Enthalpy of Formation of Selenocysteine: A G3 and G4 Quantum Chemical Study, J. Chem. Thermodyn., 73, 134 −139 (2014). M. Ponikvar-Svet, A.T. Thomas, B.J. Dodson, B.M. Henegar, M.W. Brewster, N.K. Neerchal, J.F. Liebman, “Linear Model for Estimating the Entropy of Formation of Aqueous Anions,” Struct. Chem., 24, 2069−2082 (2013). M.S. Miranda, J.C.G. Esteves da Silva, A. Castillo, A.T. Frank, A. Greer, J.A. Brown, B.C. Davis and J.F. Liebman, “Amino, Ammonio and Aminioethenes: A Theoretical Study of their Structure and Energetics,” J. Phys. Org. Chem., 26, 613 − 625 (2013). M. Maatallah, M. Guo, D. Cherqaoui, A. Jarid and J.F. Liebman, “Aluminium Clusters for Molecular Hydrogen Storage and the Corresponding Alanes as Fuel Alternatives: A Structural and Energetic Analysis,” Intl. J. Hydrog. Energ., 38, 5758−5767 (2013). Á.Vegas, R.Notario, E. Chamorro, P. Perez and J.F. Liebman, “Isoelectronic and Isolobal O, CH2, CH3+ and BH3 as Electron Pairs. Similarities between Molecular and Solid State Chemistry,” Acta Cryst. B, 69, 163 – 175 (2013). J.Z. Dávalos, P. Jiménez, M.V. Roux, M.T. Molina, T. Filipova, E. Lewars and J.F. Liebman,“Thermochemical and Structural Properties of Anthraquinones,” Struct. Chem., 24, 2027 – 2034 (2013). M. Ponikvar-Svet, K.F. Edwards and J.F. Liebman, “An Overview of the Understanding of Ions Containing Solely Fluorine Atoms,” Acta Chim. Slovenica, 60, 471 – 483 (2013). J. Morgan, A. Greenberg and J.F. Liebman, “Paradigms and Paradoxes: O- and N-Protonated Amides, Stabilization Energy and Resonance Energy,” Struct. Chem., 23, 197-199 (2012). S.P. Verevkin,V.N. Emel’yanenko, M.V. Roux, R. Notario, J.S. Chickos and J.F. Liebman, “Rediscovering the Wheel. Thermochemical Analysis of Energetics of the Aromatic Diazines,” J. Phys. Chem. Lett., 3, 3454 −3459 (2012). Á.Vegas, J.F. Liebman and H.D.B. Jenkins, “Unique Thermodynamic Relations for ΔfH⁰ and ΔfG⁰ for Crystalline Inorganic Salts. I. Predicting the Existence and Possible Synthesis of Na2SO2 and Na2SeO2” Acta Cryst., B68, 511 − 527 (2012). J.F. Liebman and S.W. Slayden, “Thermochemistry of Organoselenium and Organotellurium Compounds,” in Patai’s Chemistry of Functional Groups: The Chemistry of Organic Selenium and Organic Tellurium Compounds Vol. 3, (ed. Z. Rappoport), 139 – 165 (2012).